General Information of the Compound
Compound ID
CP0480313
Compound Name
2-N-(2,6-dichlorophenyl)-7-N-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
    Show/Hide
Structure
Formula
C18H13Cl2N5O2S2
Molecular Weight
466.375
Canonical SMILES
CS(=O)(=O)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
    Show/Hide
InChI
InChI=1S/C18H13Cl2N5O2S2/c1-29(26,27)11-7-5-10(6-8-11)23-16-15-17(22-9-21-16)28-18(25-15)24-14-12(19)3-2-4-13(14)20/h2-9H,1H3,(H,24,25)(H,21,22,23)
    Show/Hide
InChIKey
IDVNOAFQDRIEGH-UHFFFAOYSA-N
Physicochemical Property
logP
5.2838
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
96.87
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
29

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 24882793
SID: 50138543
ChEMBL ID
CHEMBL467851
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 3 nM
   TI
   LI
   LO
   TS
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 5 nM
   TI
   LI
   LO
   TS